3-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]-N-propyl-benzamide

Systemtic Name: 3-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]-N-propyl-benzamide Openeye Name: 3-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]-N-propyl-benzamide CAS Name: 3-[[[6-(4-chlorophenyl)-3-pyridazinyl]thio]methyl]-N-propylbenzamide IUPAC Name: 3-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]-N-propylbenzamide Traditional Name: 3-[[[6-(4-chlorophenyl)pyridazin-3-yl]thio]methyl]-N-propyl-benzamide Formula: C21H20ClN3OS MolecularWeight: 397.921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)CSC2=NN=C(C=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)CSC2=NN=C(C=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3OS/c1-2-12-23-21(26)17-5-3-4-15(13-17)14-27-20-11-10-19(24-25-20)16-6-8-18(22)9-7-16/h3-11,13H,2,12,14H2,1H3,(H,23,26)